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Home > Other Heterocycles > 79421-85-5
79421-85-5 | 1-(1,3-Dimethyl-2-oxabicyclo[2.2.2]octan-3-yl)-4-methyl-3-penten-2-one
CAS No: 79421-85-5 Catalog No: AG00GPRX MDL No:
Product Description
Catalog Number:
AG00GPRX
Chemical Name:
1-(1,3-Dimethyl-2-oxabicyclo[2.2.2]octan-3-yl)-4-methyl-3-penten-2-one
CAS Number:
79421-85-5
IUPAC Name:
1-(1,3-dimethyl-2-oxabicyclo[2.2.2]octan-3-yl)-4-methylpent-3-en-2-one
InChI:
InChI=1S/C15H24O2/c1-11(2)9-13(16)10-15(4)12-5-7-14(3,17-15)8-6-12/h9,12H,5-8,10H2,1-4H3
InChI Key:
DTLTZCCHHHRSOU-UHFFFAOYSA-N
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.355g/mol
Monoisotopic Mass:
236.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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